Chlorine in PDB 5nrx: Cys-Gly Dipeptidase Glij in Complex with FE2+

All present enzymatic activity of Cys-Gly Dipeptidase Glij in Complex with FE2+:
3.4.13.19;

The structure of Cys-Gly Dipeptidase Glij in Complex with FE2+, PDB code: 5nrx was solved by M.Groll, E.M.Huber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.35
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.000, 99.000, 106.090, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 18.5

The structure of Cys-Gly Dipeptidase Glij in Complex with FE2+ also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Cys-Gly Dipeptidase Glij in Complex with FE2+ (pdb code 5nrx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cys-Gly Dipeptidase Glij in Complex with FE2+, PDB code: 5nrx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cys-Gly Dipeptidase Glij in Complex with FE2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cys-Gly Dipeptidase Glij in Complex with FE2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:62.4 occ:1.00 NH2 A:ARG31 3.8 54.7 1.0 NE2 A:GLN90 4.3 49.5 1.0 OE1 A:GLN93 4.5 42.2 1.0 NE2 A:GLN93 4.6 42.0 1.0 O A:HOH678 4.7 78.0 1.0 CG A:GLN90 4.9 45.5 1.0 CD A:GLN93 5.0 41.9 1.0

Chlorine binding site 2 out of 2 in the Cys-Gly Dipeptidase Glij in Complex with FE2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cys-Gly Dipeptidase Glij in Complex with FE2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:63.6 occ:1.00 O A:ASP239 3.3 43.4 1.0 CB A:ASP239 4.1 45.0 1.0 C A:ASP239 4.1 44.1 1.0 CB A:HIS243 4.2 46.5 1.0 CA A:ASP239 4.3 44.5 1.0 N A:HIS243 4.5 43.2 1.0 CG A:ASP239 4.7 46.9 1.0 CA A:HIS243 4.7 43.7 1.0 CG2 A:ILE284 4.8 39.2 1.0 CB A:LEU242 4.8 41.2 1.0 OD2 A:ASP239 4.9 46.7 1.0 CB A:ARG283 4.9 44.5 1.0

A.Marion, M.Groll, D.H.Scharf, K.Scherlach, M.Glaser, H.Sievers, M.Schuster, C.Hertweck, A.A.Brakhage, I.Antes, E.M.Huber. Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase Glij. Acs Chem. Biol. V. 12 1874 2017.
ISSN: ESSN 1554-8937
PubMed: 28525266
DOI: 10.1021/ACSCHEMBIO.6B00847